diff options
Diffstat (limited to 'cv/data/csv/LOAEL_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_electronic_cpsa.csv | 880 |
1 files changed, 440 insertions, 440 deletions
diff --git a/cv/data/csv/LOAEL_electronic_cpsa.csv b/cv/data/csv/LOAEL_electronic_cpsa.csv index e722c04..6e05577 100644 --- a/cv/data/csv/LOAEL_electronic_cpsa.csv +++ b/cv/data/csv/LOAEL_electronic_cpsa.csv @@ -1,440 +1,440 @@ -SMILES,THSA,apol,bpol,RNCS,RPCG,FNSA-3,FPSA-3 -InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,655.042053222656,45.0606880187988,23.5173110961914,1.46358001232147,0.0881587639451027,-0.0533148683607578,0.0411908403038979 -InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,451.986206054688,37.989444732666,28.0105533599854,2.16322684288025,0.0509170144796371,-0.00903143640607595,0.0339683033525944 -InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,616.374328613281,42.3431358337402,11.9388628005981,15.2858333587646,0.225426197052002,-0.0846881419420242,0.0307731777429581 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